⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2784251 | 0.85 | — | — | |
| SCHEMBL2834185 | 0.85 | — | — | |
| SCHEMBL1765795 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL28941560 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL9065102 | 0.76 | — | — | |
| Trimethylammonium SCHEMBL27260717 | 0.73 | — | — | |
| Dimethylamine SCHEMBL28119836 | 0.70 | — | — | |
| Dimethylamine SCHEMBL28251870 | 0.67 | — | — | |
| Dimethylamine SCHEMBL17046135 | 0.61 | — | — | |
| Dimethylamine SCHEMBL28348468 | 0.61 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130252002-A1 | GAS BARRIER FILM, METHOD OF PRODUCING A GAS BARRIER FILM, AND ELECTRONIC DEVICE | Konica Minolta, Inc. (JP) | 2013-09-26 | — | — | US | disclosed |